SCHEMBL28009674

SCHEMBL28009674

CCCCC(CC)CNc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 4/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
NPY5R Q15761 1/20 0.40
CA2 P00918 1/20 0.40
P2RX7 Q99572 1/20 0.39
ADRA2C P18825 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PFKFB3 Q16875 1/20 0.37
PGR P06401 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11269996 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EHTTTSHRCYP3A4
SCHEMBL8102698 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHTTTSHRCYP3A4
SCHEMBL11108489 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHTTTSHRCYP3A4
O-Xylene SCHEMBL17007543 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHTTTSHRCYP3A4
SCHEMBL16378563 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHTTTSHRCYP3A4
SCHEMBL21310189 0.81 HTT (0.48) ALDH1A1KDM4EHTTTSHRCYP3A4
SCHEMBL8379148 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHTTTSHRCYP3A4
SCHEMBL31427597 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHTTTSHRCYP3A4
SCHEMBL31294508 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EHTTTSHRCYP3A4
SCHEMBL23791663 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHTTTSHRCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884496-A HARDENERS FOR LOW-EMISSION EPOXY RESIN PRODUCTS SIKA TECHNOLOGY AG 2015-09-02 CN claimed
CN-104884496-A HARDENERS FOR LOW-EMISSION EPOXY RESIN PRODUCTS SIKA TECHNOLOGY AG 2015-09-02 CN disclosed
CN-104854077-A AMINE FOR LOW-EMISSION EPOXY RESIN PRODUCTS SIKA TECHNOLOGY AG 2015-08-19 CN disclosed